From 25a78ecb812d56ffc82bb212b1e28c578dd8371f Mon Sep 17 00:00:00 2001 From: Berk Hess Date: Wed, 8 May 2013 18:07:38 +0200 Subject: [PATCH] fixed incorrect scaling of cos-acceleration viscosity The cos-acceleration 1/viscosity output contained an anomalous factor 1/volume. This factor is now removed. Fixes #1244 Change-Id: I9bf318b4e6557720683d50a0c2e887e306bacc3f --- src/mdlib/mdebin.c | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/mdlib/mdebin.c b/src/mdlib/mdebin.c index 7fdfa7bba4..0bd097945f 100644 --- a/src/mdlib/mdebin.c +++ b/src/mdlib/mdebin.c @@ -1091,7 +1091,7 @@ void upd_mdebin(t_mdebin *md, add_ebin(md->ebin, md->ivcos, 1, &(ekind->cosacc.vcos), bSum); /* 1/viscosity, unit 1/(kg m^-1 s^-1) */ tmp = 1/(ekind->cosacc.cos_accel/(ekind->cosacc.vcos*PICO) - *dens*vol*sqr(box[ZZ][ZZ]*NANO/(2*M_PI))); + *dens*sqr(box[ZZ][ZZ]*NANO/(2*M_PI))); add_ebin(md->ebin, md->ivisc, 1, &tmp, bSum); } if (md->nE > 1) -- 2.22.0